1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine

C9H13N3 — CID 145255956

IUPAC1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine
SMILES[H]/N=C1\CCN(C)C2CC=CN=C12
InChIInChI=1S/C9H13N3/c1-12-6-4-7(10)9-8(12)3-2-5-11-9/h2,5,8,10H,3-4,6H2,1H3/b10-7+
InChIKeyBSSJHJSQZVTXLN-JXMROGBWSA-N
MW163.22 g/mol
LogP1.07
Rot. Bonds

About 1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine

1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine (PubChem CID 145255956) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine.

Molecular Properties

Compound Name1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine
PubChem CID145255956
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine
SMILES[H]/N=C1\CCN(C)C2CC=CN=C12
InChIInChI=1S/C9H13N3/c1-12-6-4-7(10)9-8(12)3-2-5-11-9/h2,5,8,10H,3-4,6H2,1H3/b10-7+
InChIKeyBSSJHJSQZVTXLN-JXMROGBWSA-N
XLogP1.07
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine
CID 90696324
2-(1-Methylpiperidin-2-yl)-3,4-dihydropyridine
CID 142975345
2-(Piperidin-1-ylmethyl)-3,4-dihydropyridine
CID 144046070
1,4,6,7,8,8a-Hexahydro-1,5-naphthyridine
CID 173109885
1-Methyl-2-prop-2-enylpiperidine-3,4-diimine
CID 145255895
1-(4-Imino-2,3,8,8a-tetrahydro-1,5-naphthyridin-1-yl)ethanone
CID 145255947

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine?
The IUPAC name of 1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine (CID 145255956) is 1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine.
What is the SMILES notation for 1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine?
The canonical SMILES for 1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine is [H]/N=C1\CCN(C)C2CC=CN=C12.
What is the InChIKey of 1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine?
The InChIKey is BSSJHJSQZVTXLN-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-6-4-7(10)9-8(12)3-2-5-11-9/h2,5,8,10H,3-4,6H2,1H3/b10-7+.
What are the key properties of 1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine?
1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine has a molecular weight of 163.22 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine is sourced from PubChem (CID 145255956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).